SCHEMBL16533778

SCHEMBL16533778

NC(=O)c1nc(-c2cccc(C#C[C@]3(O)CCNC3=O)c2)nc2ccsc12

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 20/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16517242 0.87 MAP3K14 (0.38) MAP3K14
SCHEMBL16533803 0.84 MAP3K14 (0.44) MAP3K14
SCHEMBL16505407 0.83 MAP3K14 (0.64) MAP3K14
SCHEMBL16522795 0.83 MAP3K14 (0.64) MAP3K14
SCHEMBL16533787 0.80 MAP3K14 (0.46) MAP3K14
SCHEMBL16533810 0.80 MAP3K14 (0.46) MAP3K14
SCHEMBL16517666 0.80 MAP3K14 (0.33) MAP3K14
SCHEMBL16533805 0.77 MAP3K14 (0.45) MAP3K14
SCHEMBL16505546 0.75 MAP3K14 (0.57) MAP3K14
SCHEMBL16517346 0.72 MAP3K14 (0.38) MAP3K14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
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